N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide

C18H20N4O2 — CID 175409928

IUPACN-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide
SMILESO=C(/N=N/C(=O)C1CC2CC=CC=C2N1)C1CC2CC=CC=C2N1
InChIInChI=1S/C18H20N4O2/c23-17(15-9-11-5-1-3-7-13(11)19-15)21-22-18(24)16-10-12-6-2-4-8-14(12)20-16/h1-4,7-8,11-12,15-16,19-20H,5-6,9-10H2/b22-21+
InChIKeyREOMVHNJMQAVLH-QURGRASLSA-N
MW324.38 g/mol
LogP2.14
Rot. Bonds2

About N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide

N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide (PubChem CID 175409928) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide
PubChem CID175409928
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide
SMILESO=C(/N=N/C(=O)C1CC2CC=CC=C2N1)C1CC2CC=CC=C2N1
InChIInChI=1S/C18H20N4O2/c23-17(15-9-11-5-1-3-7-13(11)19-15)21-22-18(24)16-10-12-6-2-4-8-14(12)20-16/h1-4,7-8,11-12,15-16,19-20H,5-6,9-10H2/b22-21+
InChIKeyREOMVHNJMQAVLH-QURGRASLSA-N
XLogP2.14
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide (CID 175409928) is N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide is O=C(/N=N/C(=O)C1CC2CC=CC=C2N1)C1CC2CC=CC=C2N1.
What is the InChIKey of N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is REOMVHNJMQAVLH-QURGRASLSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(15-9-11-5-1-3-7-13(11)19-15)21-22-18(24)16-10-12-6-2-4-8-14(12)20-16/h1-4,7-8,11-12,15-16,19-20H,5-6,9-10H2/b22-21+.
What are the key properties of N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide?
N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 175409928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).